Publication year and citation count as defined by https://www.semanticscholar.org/

Submitted

• Ernst Dennis Lægteskov Binau Larsson, Erik Kjellgren, Peter Reinholdt, Jacob Kongsted: State-Averaged Quantum Algorithms for Multiconfigurational Surface Chemistry: A Benchmark on Rh@TiO2(110), arXiv:2604.2604

• Ignacio Loaiza, Alexander Kunitsa, Stepan Fomichev, Danial Motlagh, Diksha Dhawan, Soran Jahangiri, Juliane Holst Fuglsbjerg, Artur F. Izmaylov, Nathan Wiebe, Yaser Abu-Lebdeh, Juan Miguel Arrazola, Alain Delgado: Quantum algorithm for simulating resonant inelastic X-ray scattering in battery materials, arXiv:2602.20270

• Oscar G. L. Rasmussen, Erik Kjellgren, Peter Reinholdt, Stephan P. A. Sauer, Sonia Coriani, Karl Michael Ziems, Jacob Kongsted: Cost-effective scalable quantum error mitigation for tiled Ansätze, arXiv:2511.21236

• Zhongqi Zhao, Erik Rosendahl Kjellgren, Sonia Coriani, Jacob Kongsted, Stephan P. A. Sauer, Karl Michael Ziems: Quantum error mitigation using energy sampling and extrapolation enhanced Clifford data regression, arXiv:2511.03556

Publications

• Paarth Jain, Artur F. Izmaylov, Erik R. Kjellgren: Exact Factorization of Unitary Transformations with Spin-Adapted Generators, J. Chem. Phys. 164, 194107 (2026)

• Juliane H. Fuglsbjerg, Peter Reinholdt, Erik Kjellgren, Phillip W. K. Jensen, Sonia Coriani, Jacob Kongsted, Stephan P. A. Sauer: Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework, J. Chem. Theory Comput. 22, 3305-3315 (2026)

• Theo Juncker von Buchwald, Erik Rosendahl Kjellgren, Jacob Kongsted, Stephan P. A. Sauer, Sonia Coriani, Karl Michael Ziems: Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response, J. Chem. Theory Comput. 22, 1652–1663 (2026)

• E. R. Kjellgren, K. M. Ziems, P. Reinholdt, S. P. A. Sauer, S. Coriani, J. Kongsted: Redundant parameter dependencies in conventional and quantum linear response and equation of motion theory for unitary parameterized wave functions, J. Chem. Phys. 163, 134111 (2025)

• E. R. Kjellgren, P. Reinholdt, K. M. Ziems, S. P. A. Sauer, S. Coriani, J. Kongsted: Exact closed-form expression for unitary spin-adapted fermionic singlet double excitation operators, J. Chem. Phys. 163, 134115 (2025)

• P. W. K. Jensen, G. S. Hedemark, K. M. Ziems, E. R. Kjellgren, P. Reinholdt, S. Knecht, S. Coriani, J. Kongsted, S. P. A. Sauer: Hyperfine Coupling Constants on Quantum Computers: Performance, Errors, and Future Prospects , J. Chem. Theory Comput. 21, 7878–7889 (2025)

• P. Reinholdt, K. M. Ziems, E.R. Kjellgren, S. Coriani, S. P. A. Sauer, J. Kongsted: Critical Limitations in Quantum-Selected Configuration Interaction Methods, J. Chem. Theory Comput. 21, 6811–6822 (2025)

• P. Reinholdt, E. R. Kjellgren, K. M. Ziems, S. Coriani, S. P. A. Sauer, J. Kongsted: Self-consistent Quantum Linear Response with a Polarizable Embedding environment, J. Phys. Chem. A 129, 1504-1515 (2025)

• K. M. Ziems, E. R. Kjellgren, S. P. A. Sauer, J. Kongsted, S. Coriani: Understanding and mitigating noise in molecular quantum linear response for spectroscopic properties on quantum computers, Chem. Sci. 16, 4456 (2025)

• E. R. Kjellgren, P. Reinholdt, K. M. Ziems, S. P. A. Sauer, S. Coriani, J. Kongsted: Divergences in classical and quantum linear response and equation of motion formulations, J. Chem. Phys. 161, 124112 (2024)

• T. Juncker von Buchwald, E. R. Kjellgren, K. M. Ziems, S. P. A. Sauer, J. Kongsted, S. Coriani: Reduced density matrix formulation of quantum linear response, J. Chem. Theory Comput. 20, 7093-7101 (2024)

• D. Nagy, P. Reinholdt, P. W. K. Jensen, E. R. Kjellgren, K. M. Ziems, A. Fitzpatrick, S. Knecht, J. Kongsted, S. Coriani, S. P. A. Sauer: Electric Field Gradient Calculations for Ice VIII and IX using Polarizable Embedding: A Comparative Study on Classical Computers and Quantum Simulators, J. Chem. Phys. A 128, 6305-6315 (2024)

• P. Reinholdt, E. R. Kjellgren, J. H. Fuglsbjerg, K. M. Ziems, S. Coriani, S. P. A. Sauer, J. Kongsted: Subspace methods for the simulation of molecular response properties on a quantum computer, J. Chem. Theory Comput. 20, 3729-3740 (2024)

• P. W. K. Jensen, E. R. Kjellgren, P. Reinholdt, K. M. Ziems, S. Coriani, J. Kongsted, S. P. A. Sauer: Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing, J. Chem. Theory Comput. 20, 3613-3625 (2024)

• K. M. Ziems, E. R. Kjellgren, P. Reinholdt, P. W. K. Jensen, S. P. A. Sauer, J. Kongsted, S. Coriani: Which options exist for NISQ-friendly linear response formulations?, J. Chem. Theory Comput. 20, 3551-3565 (2024)

• E. R. Kjellgren, P. Reinholdt, A. Fitzpatrick, W. N. Talarico, P. W. K. Jensen, S. P. A. Sauer, S. Coriani, S. Knecht, J. Kongsted: The variational quantum eigensolver self-consistent field method within a polarizable embedded framework, J. Chem. Phys. 160, 124114 (2024)